SCHEMBL189130

SCHEMBL189130

COc1cc(Nc2nc3ccccc3nc2NS(=O)(=O)c2cccc(C(=O)O)c2)cc(OC)c1

nearest known ligand 0.75

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.75
KMT2A Q03164 4/20 0.75
PIK3CD O00329 4/20 0.69
PIK3CG P48736 5/20 0.67
PIK3CA P42336 3/20 0.67
PIK3CB P42338 2/20 0.67
MTOR P42345 1/20 0.60
PRKDC P78527 1/20 0.60
RPTOR Q8N122 1/20 0.60
MLST8 Q9BVC4 1/20 0.60
MAPT P10636 2/20 0.56
PIK3C2B O00750 2/20 0.54
PIK3C2G O75747 2/20 0.54
EGFR P00533 1/20 0.54
POLB P06746 1/20 0.53
GFER P55789 1/20 0.53
CTNNB1 P35222 1/20 0.53

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL2302016 0.92 PIK3CD (0.69) MEN1KMT2APIK3CDPIK3CGPIK3CA
SCHEMBL2283412 0.90 MEN1 (0.61) MEN1KMT2APIK3CDPIK3CGPIK3CA
SCHEMBL2282913 0.90 MEN1 (0.61) MEN1KMT2APIK3CDPIK3CGPIK3CA
SCHEMBL2303554 0.90 PIK3CD (0.77) MEN1KMT2APIK3CDPIK3CGPIK3CA
SCHEMBL2300672 0.89 PIK3CD (0.71) MEN1KMT2APIK3CDPIK3CGPIK3CA
SCHEMBL188574 0.88 PIK3CG (0.66) MEN1KMT2APIK3CDPIK3CGPIK3CA
SCHEMBL188557 0.88 PIK3CD (0.84) MEN1KMT2APIK3CDPIK3CGPIK3CA
SCHEMBL2305856 0.87 PIK3CD (0.76) MEN1KMT2APIK3CDPIK3CGPIK3CA
SCHEMBL188712 0.86 PIK3CD (0.74) MEN1KMT2APIK3CDPIK3CGPIK3CA
SCHEMBL188925 0.85 PIK3CD (0.70) MEN1KMT2APIK3CDPIK3CGPIK3CA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 81 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140100215-A1 Methods of Using PI3K and MEK Modulators EXELIXIS, INC. (US) 2014-04-10 US claimed
US-20120302545-A1 Method of Using PI3K and MEK Modulators EXELIXIS, INC. (US) 2012-11-29 US claimed
US-20110319410-A1 PYRAZINE DERIVATIVES AND USE AS PI3K INHIBITORS MERCK SERONO SA (CH) 2011-12-29 US claimed
US-8071597-B2 Pyrazine compounds and uses as PI3K inhibitors MERCK SERONO SA (CH) 2011-12-06 US claimed
US-20110207712-A1 Phosphatidylinositol 3-Kinase Inhibitors And Methods Of Their Use EXELIXIS, INC. (US) 2011-08-25 US claimed
US-20110123434-A1 COMBINATION THERAPIES COMPRISING QUINOXALINE INHIBITORS OF P13K-ALPHA FOR USE IN THE TREATMENT OF CANCER EXELIXIS, INC (US) 2011-05-26 US claimed
US-20100087440-A1 Phosphatidylinositol 3-Kinase Inhibitors and Methods of Their Use EXELIXIS, INC. 2010-04-08 US claimed
US-20100075947-A1 Methods of Using PI3K and MEK Modulators EXELIXIS, INC. (US) 2010-03-25 US claimed
EP-2056829-A2 USING PI3K AND MEK MODULATORS IN TREATMENTS OF CANCER Exelixis, Inc. (US) 2009-05-13 EP claimed
US-20090082356-A1 Pyrazine Derivatives and Use as P13k Inhibitors MERCK SERONO SA (CH) 2009-03-26 US claimed
JP-2009506015-A 2009-02-12 JP claimed
WO-2009017838-A2 COMBINATIONS OF JAK-2 INHIBITORS AND OTHER AGENTS EXELIXIS, INC. (US) 2009-02-05 WO claimed
EP-1931645-A2 N- (3-AMINO-QUINOXALIN-2-YL) -SULFONAMIDE DERIVATIVES AND THEIR USE AS PHOSPHATIDYLINOSITOL 3-KINASE INHIBITORS Exelixis, Inc. (US) 2008-06-18 EP claimed
EP-1917252-A1 PYRAZINE DERIVATIVES AND USE AS PI3K INHIBITORS LABORATOIRES SERONO S.A. (CH) 2008-05-07 EP claimed
WO-2008021389-A2 USING PI3K AND MEK MODULATORS IN TREATMENTS OF CANCER EXELIXIS, INC. (US) 2008-02-21 WO claimed
WO-2007044729-A2 N- (3-AMINO-QUINOXALIN-2-YL) -SULFONAMIDE DERIVATIVES AND THEIR USE AS PHOSPHATIDYLINOSITOL 3-KINASE INHIBITORS EXELIXIS, INC. (US) 2007-04-19 WO claimed
WO-2007023186-A1 PYRAZINE DERIVATIVES AND USE AS PI3K INHIBITORS LABORATOIRES SERONO S.A. (CH) 2007-03-01 WO claimed
US-9011863-B2 Combinations of kinase inhibitors for the treatment of cancer EXELIXIS, INC. (US) 2015-04-21 US disclosed
WO-2007023186-A1 PYRAZINE DERIVATIVES AND USE AS PI3K INHIBITORS LABORATOIRES SERONO S.A. (CH) 2007-03-01 WO disclosed
WO-2007023186-A1 PYRAZINE DERIVATIVES AND USE AS PI3K INHIBITORS LABORATOIRES SERONO S.A. (CH) 2007-03-01 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (8 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20100087440-A1 Phosphatidylinositol 3-Kinase Inhibitors and Methods of Their Use PIK3CA, PIK3CB, PIK3CG MEN1 3161/4885KMT2A 2013/4885PIK3CD 4/4885
US-20100075947-A1 Methods of Using PI3K and MEK Modulators PIK3CA, PIK3CD, PIK3R1 MEN1 1310/4885KMT2A 1063/4885PIK3CD 2/4885
US-20110207712-A1 Phosphatidylinositol 3-Kinase Inhibitors And Methods Of Their Use PIK3CA, PIK3CB, PIK3CG MEN1 3161/4885KMT2A 2013/4885PIK3CD 4/4885
US-20140100215-A1 Methods of Using PI3K and MEK Modulators PIK3CA, PIK3CD, PIK3R1 MEN1 1310/4885KMT2A 1063/4885PIK3CD 2/4885
US-20120302545-A1 Method of Using PI3K and MEK Modulators PIK3CA, PIK3CD, PIK3R1 MEN1 1096/4885KMT2A 1033/4885PIK3CD 2/4885
US-20090082356-A1 Pyrazine Derivatives and Use as P13k Inhibitors PI4KA, PIP5K1B, PDPK1 MEN1 1772/4885KMT2A 3815/4885PIK3CD 74/4885
US-20110123434-A1 COMBINATION THERAPIES COMPRISING QUINOXALINE INHIBITORS OF P13K-ALPHA FOR USE IN THE TREATMENT OF CANCER TP53, PHKG1, TNNI3K MEN1 1197/4885KMT2A 1079/4885PIK3CD 339/4885
US-20110319410-A1 PYRAZINE DERIVATIVES AND USE AS PI3K INHIBITORS PIK3R5, PIK3CD, PIK3CA MEN1 3412/4885KMT2A 4603/4885PIK3CD 2/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.